2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole

C24H24N2O — CID 18878152

IUPAC2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
SMILESCc1ccc(C)c(OCc2nc3ccccc3n2C(C)c2ccccc2)c1
InChIInChI=1S/C24H24N2O/c1-17-13-14-18(2)23(15-17)27-16-24-25-21-11-7-8-12-22(21)26(24)19(3)20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3
InChIKeySXDOWYKJFRUPSL-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.84
Rot. Bonds5

About 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole

2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole (PubChem CID 18878152) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
PubChem CID18878152
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
SMILESCc1ccc(C)c(OCc2nc3ccccc3n2C(C)c2ccccc2)c1
InChIInChI=1S/C24H24N2O/c1-17-13-14-18(2)23(15-17)27-16-24-25-21-11-7-8-12-22(21)26(24)19(3)20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3
InChIKeySXDOWYKJFRUPSL-UHFFFAOYSA-N
XLogP5.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-[(2,5-dimethylphenoxy)methyl]-1-(3-methylbutyl)benzimidazole
CID 18878149
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetonitrile
CID 39151486
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16998038
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023
2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807
1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878159
ethyl 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetate
CID 16998057

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole (CID 18878152) is 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole is Cc1ccc(C)c(OCc2nc3ccccc3n2C(C)c2ccccc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole?
The InChIKey is SXDOWYKJFRUPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-17-13-14-18(2)23(15-17)27-16-24-25-21-11-7-8-12-22(21)26(24)19(3)20-9-5-4-6-10-20/h4-15,19H,16H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole?
2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole has a molecular weight of 356.47 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-1-(1-phenylethyl)benzimidazole is sourced from PubChem (CID 18878152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).